SwitchStatement : lp:openbabel : Git : Code : Open Babel

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A test was failing due to Windows line-endings. Added code to explicitly handle the \r.

Use a switch statement for the entire body of the parsing loop, instead of some 'if's and a switch.

7972033... by Geoff Hutchison <email address hidden> on 2017-12-28

Merge pull request #1592 from nakatamaho/master

Fix wrong spin multiplicity assignment

c11d051... by mmghahremanpour <email address hidden> on 2017-12-28

Obthermo update patch (#1598)

* updates for obthermo

41c8367... by Geoff Hutchison <email address hidden> on 2017-12-28

Fix Python3 compatibility (#1737)

Fix Python3 compatibility by using items() instead of itertools

94f963b... by Geoff Hutchison <email address hidden> on 2017-12-27

Merge pull request #1736 from ghutchis/fix-distgeom-triangles

Fix code error found from @baoilleach compiler warnings

201d477... by Geoff Hutchison <email address hidden> on 2017-12-27

Merge pull request #1734 from ghutchis/tinker-custom-atom-types

Add support for using atom classes as Tinker atom types.

0db5bc0... by Geoff Hutchison <email address hidden> on 2017-12-27

Fix code error found from @baoilleach compiler warnings

Resolves #1735

ea801f5... by Geoff Hutchison <email address hidden> on 2017-12-27

Add support for using atom classes as Tinker atom types.

Resolves feature request #1732
`obabel -:'[C:345]([H:34])([H:34])([H:34])[C:234]([H:34])([H:34])[O:67]([H:68])' -otxyz -xc`

1dacb36... by Geoff Hutchison <email address hidden> on 2017-12-27

Merge pull request #1724 from baoilleach/IsInRing

Make sure that OBAtom::IsInRing always triggers ring perception if not set as perceived

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